ethyl 3,5-dimethyl-1-(3-nitropyridin-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-1-(3-nitropyridin-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-1-(3-nitro-2-pyridyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(3-nitro-2-pyridinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-1-(3-nitropyridin-2-yl)pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(3-nitro-2-pyridyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H14N4O4 MolecularWeight: 290.27466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=C(C=CC=N2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N4O4/c1-4-21-13(18)11-8(2)15-16(9(11)3)12-10(17(19)20)6-5-7-14-12/h5-7H,4H2,1-3H3